(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(cyclopropylsulfamoyl)benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(cyclopropylsulfamoyl)benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 3-(cyclopropylsulfamoyl)benzoate CAS Name: 3-(cyclopropylsulfamoyl)benzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 3-(cyclopropylsulfamoyl)benzoate Traditional Name: 3-(cyclopropylsulfamoyl)benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O4S/c1-14-19(20(22)25(23-14)17-7-3-2-4-8-17)13-29-21(26)15-6-5-9-18(12-15)30(27,28)24-16-10-11-16/h2-9,12,16,24H,10-11,13H2,1H3